N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-2-(4-fluorophenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-2-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-2-(4-fluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C25H22BrFN4O3 MolecularWeight: 525.369583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(C=C(C=C2)C(=O)NCCN)NC1=O)C(=O)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

C1C(N(C2=C(C=C(C=C2)C(=O)NCCN)NC1=O)C(=O)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22BrFN4O3/c26-18-3-1-2-17(12-18)25(34)31-21-9-6-16(24(33)29-11-10-28)13-20(21)30-23(32)14-22(31)15-4-7-19(27)8-5-15/h1-9,12-13,22H,10-11,14,28H2,(H,29,33)(H,30,32)